NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7367 8.3033 120.4035 56.2704 32.1489 175.3813 3 E 3.8521 8.3131 118.7792 58.2026 29.3454 177.3960 4 W 3.9065 8.7624 129.8162 60.5493 31.2654 177.3902 5 A 4.1596 8.1805 120.1729 54.9842 17.7688 179.2655 6 L 3.8146 7.8346 118.5497 58.2049 42.1840 178.9655 7 A 3.8288 8.4083 121.0941 55.1707 18.2185 179.0165 8 D 4.0331 8.3937 116.6319 57.4591 41.2803 178.4589 9 A 3.9930 7.8986 121.2662 54.9578 18.2546 179.7925 10 I 3.6350 7.9030 118.6054 64.4932 37.1271 178.7389 11 V 3.4396 8.1688 119.4467 65.9462 31.1831 177.9929 12 R 3.8988 8.1101 118.4453 59.7465 29.9921 178.6536 13 T 3.8868 8.0227 115.5362 66.4966 68.4132 176.8490 14 V 3.6823 8.1462 120.3308 66.1040 31.5830 178.0078 15 L 4.0300 8.3379 118.9367 57.8807 41.4871 178.9611 16 D 4.4255 8.3622 119.0552 57.7879 40.8676 178.6290 17 Y 4.0091 7.9720 118.7083 60.7366 38.8055 177.5985 18 A 3.7532 8.4519 122.1120 55.4726 18.5404 179.6970 19 Q 3.8638 8.3846 116.6750 58.8602 28.5316 178.7758 20 R 3.8918 7.6740 119.1726 59.0545 30.1775 177.4774 21 E 4.2710 7.6926 115.5888 55.2578 29.5806 176.4648 22 G 3.8207 7.7131 106.2843 46.2888 0.0000 174.3338 23 A 4.3470 7.9733 120.9482 51.9035 18.5368 178.6592 24 S 4.5899 9.1027 114.3964 59.0552 64.8653 174.2251 25 R 4.6460 7.5397 118.7011 55.2667 33.4252 173.5840 26 V 4.4612 8.4300 125.2646 61.3719 32.3375 175.4108 27 K 4.2955 9.2180 129.1588 58.8756 33.3557 177.1025 28 A 5.0984 7.6037 119.0643 50.7313 23.0484 175.4707 29 V 4.7363 8.9978 119.6869 61.2586 35.5815 173.7956 30 R 4.8834 8.7832 127.9903 54.5236 32.4864 174.2932 31 V 4.3778 8.4052 126.8879 60.9974 34.2747 174.4093 32 V 4.4863 8.6796 128.6062 61.3512 32.9574 174.1248 33 L 4.7891 8.4541 129.4916 52.9430 43.5095 176.6859 34 G 3.8865 8.9040 114.8273 46.7394 0.0000 174.5723 35 E 4.3137 8.7641 123.4153 59.8994 29.6616 176.6567 36 L 4.0649 7.9969 118.4341 56.5212 41.9042 177.2104 37 Q 4.0380 8.0807 121.5716 55.8749 29.6639 176.4774 38 D 4.6910 8.4340 128.1381 53.2629 39.8467 175.7277 39 V 4.4945 7.1186 112.0640 58.6448 35.9054 176.2588 40 A 4.1788 8.3874 126.1274 51.3245 18.9764 178.2569 41 E 3.4094 8.6692 124.3303 59.6552 29.4692 178.9907 42 D 4.2168 7.7903 119.6695 56.1304 39.6210 178.5769 43 I 3.7857 7.5450 120.8765 64.1635 37.2987 178.2209 44 V 3.5584 7.6387 119.1603 65.7933 31.3084 177.9642 45 K 4.1494 8.1332 119.6680 59.4869 32.0816 178.4433 46 F 4.3131 8.2218 120.6096 61.3013 39.2873 176.9040 47 A 2.8215 7.9372 120.1850 55.1071 18.0966 179.3807 48 M 3.4301 7.6904 117.0641 58.5449 31.7374 178.9700 49 E 4.0732 7.7663 117.6154 59.1203 29.8643 179.0088 50 Q 3.9184 7.4818 119.6353 59.2209 29.0219 178.2996 51 L 4.0201 7.6042 118.2875 56.9651 41.8154 178.7118 52 F 4.8816 7.9694 117.0085 57.5776 39.1225 175.5728 53 A 4.2734 7.2691 122.5361 53.7060 18.4634 177.9061 54 G 3.9532 10.4747 113.3634 45.3352 0.0000 173.5086 55 T 4.4263 7.6887 110.4933 59.9316 70.8073 175.1842 56 I 3.9159 8.1172 112.3645 61.9642 37.8755 176.6026 57 A 4.1717 7.8487 124.1097 51.4640 19.3489 176.4409 58 E 3.9702 7.4292 117.7544 57.7954 29.8861 177.4122 59 G 3.8748 8.9553 112.9278 45.3444 0.0000 173.2945 60 A 4.2348 7.7331 121.7198 51.6452 19.3475 177.2162 61 E 4.1711 9.1292 122.9983 55.8913 30.9786 175.3753 62 I 4.7935 8.4523 128.0917 59.7810 39.0559 174.4312 63 E 4.6182 9.1814 129.4806 54.4315 31.5589 174.3648 64 F 5.0212 8.8477 125.5482 55.7997 41.1902 175.2904 65 V 4.4483 8.6514 122.8642 61.0271 34.6305 173.5139 66 E 4.9184 8.8684 128.5022 54.8530 31.3126 174.8008 67 E 4.4326 8.6639 128.7077 54.4486 30.2652 174.6402 68 E 4.4628 8.6206 127.6352 55.6043 30.3968 176.2415 69 A 4.3880 8.3879 126.0578 52.0449 20.3791 177.2714 70 V 4.6233 7.7601 113.1256 60.4093 35.7401 173.8166 71 F 4.8262 9.1212 125.2466 55.6949 41.7792 175.6408 72 K 4.9642 8.7018 120.2289 54.8892 35.2731 175.6831 73 C 4.8468 10.2353 129.4749 59.6854 33.0756 174.4708 74 R 5.3332 8.0261 121.2710 55.5642 29.4760 177.9131 75 N 5.0856 8.0814 112.9079 54.7566 43.7166 176.0403 76 C 4.5346 8.3716 110.5364 58.3912 31.4745 173.9372 77 N 4.3094 8.0581 115.7666 54.6201 38.3075 173.4211 78 Y 4.5804 8.1125 118.8041 58.4475 40.0418 174.4189 79 E 5.9297 8.3991 123.3247 53.3364 32.6184 174.9647 80 W 4.9178 8.4690 119.2331 54.5292 31.5933 174.1132 81 K 4.5998 8.9948 125.9896 54.3831 31.6287 175.3199 82 L 3.6743 7.8583 128.5334 55.3441 42.5328 177.4931 83 K 4.8495 8.3296 128.1224 56.1897 33.3092 174.5868 84 E 4.0317 8.3474 119.4074 58.1353 30.3485 179.1760 85 V 3.7669 8.5933 121.0148 63.7503 31.6498 175.7547 86 K 4.3779 7.3690 117.4865 55.7636 35.0385 179.0817 *108 L 4.3008 7.4780 118.0863 54.8181 42.9344 177.0749 109 A 4.7992 7.5356 119.9664 49.9267 21.6017 176.3021 110 C 3.5986 8.0073 122.8193 58.9463 32.1787 171.4918 111 P 4.4625 0.0000 0.0000 62.0468 31.3429 175.5393 112 K 3.7303 7.7107 118.4708 57.7583 34.4965 174.9270 113 C 4.3721 8.5628 110.0943 57.0890 31.8946 172.3289 114 G 3.2141 6.9844 112.4126 44.3667 0.0000 172.3698 115 S 4.5675 7.4572 115.6409 56.7226 65.3153 172.6269 116 H 4.3531 8.7258 117.0798 58.0064 28.6250 173.3613 117 D 4.2987 8.5237 120.1631 53.0149 35.9044 173.3956 118 F 5.2503 6.8782 120.0326 55.2192 41.8497 175.6841 119 E 4.6563 9.3778 120.2775 55.0473 30.7670 175.9532 120 V 3.0813 8.5685 126.0229 62.0221 31.3710 174.5305 121 V 3.9015 8.1564 124.6147 62.1475 32.0262 175.2348 122 K 4.4268 7.6030 119.6070 55.2852 34.9772 176.1812 123 G 3.9997 7.9907 120.3941 45.1482 0.0000 172.4142 124 R 4.7413 8.1146 114.6715 54.3862 32.5932 175.1320 125 G 4.0474 8.8339 103.9812 44.9510 0.0000 172.6987 126 V 5.1217 7.7412 117.7363 61.4671 34.8784 173.7760 127 Y 4.8263 8.1855 122.0750 56.2254 41.8077 173.4248 128 V 4.3140 8.3845 120.5963 61.6046 31.9767 175.2541 129 A 4.3789 9.0076 131.2930 54.6283 18.4396 177.4064 130 G 4.2455 7.7988 100.7653 44.8085 0.0000 171.0919 131 I 5.1617 8.1276 121.1610 59.3629 40.7862 174.8386 132 K 4.6001 9.0872 127.9121 54.9532 33.4328 175.9751 133 I 4.9424 8.4047 118.2470 59.0216 40.7076 174.3205 134 E 4.7879 9.0672 123.1106 54.3529 33.1381 174.5257 135 K 4.8612 8.4404 124.0494 54.3832 35.6028 175.6553 136 E 4.0521 8.4006 124.7071 54.9619 30.0608 176.7363 137 G 4.2600 9.0414 110.7463 42.9075 0.0000 171.0736 138 G 4.3128 7.5881 109.4930 43.8978 0.0000 172.9876 139 S 4.2566 8.0731 114.5028 58.3180 62.4462 173.9636 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 H 8.30 4.74 0.00 3.21 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.31 3.85 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 4 W 8.76 3.91 0.00 3.50 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.18 4.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.83 3.81 0.00 1.94 1.79 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.41 3.83 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.39 4.03 0.00 2.71 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.90 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.90 3.63 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.86 0.00 0.00 11 V 8.17 3.44 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.13 0.00 0.00 12 R 8.11 3.90 0.00 2.03 2.06 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 13 T 8.02 3.89 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 14 V 8.15 3.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.12 0.00 0.00 15 L 8.34 4.03 0.00 1.79 1.75 1.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.36 4.43 0.00 3.03 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.97 4.01 0.00 3.02 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.45 3.75 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.38 3.86 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 20 R 7.67 3.89 0.00 2.06 1.89 0.00 3.27 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 21 E 7.69 4.27 0.00 1.59 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 22 G 7.71 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.97 4.35 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 9.10 4.59 0.00 3.80 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.54 4.65 0.00 1.83 1.70 0.00 3.09 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 26 V 8.43 4.46 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.85 0.00 0.00 27 K 9.22 4.30 0.00 1.70 1.80 0.00 1.70 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.36 7.81 28 A 7.60 5.10 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 9.00 4.74 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 30 R 8.78 4.88 0.00 1.85 1.75 0.00 3.08 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 31 V 8.41 4.38 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.51 0.00 0.00 32 V 8.68 4.49 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.58 0.00 0.00 33 L 8.45 4.79 0.00 1.70 1.59 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.76 4.31 0.00 1.78 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 36 L 8.00 4.06 0.00 1.62 1.75 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.08 4.04 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.54 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 38 D 8.43 4.69 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.12 4.49 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.94 0.00 0.00 40 A 8.39 4.18 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.67 3.41 0.00 1.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 42 D 7.79 4.22 0.00 2.84 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.55 3.79 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.64 1.04 0.00 0.00 44 V 7.64 3.56 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.94 0.00 0.00 45 K 8.13 4.15 0.00 1.92 1.96 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.59 1.79 7.81 46 F 8.22 4.31 0.00 3.25 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.94 2.82 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 M 7.69 3.43 0.00 1.70 2.16 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.26 0.00 49 E 7.77 4.07 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 50 Q 7.48 3.92 0.00 1.71 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 51 L 7.60 4.02 0.00 1.16 1.48 0.34 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.97 4.88 0.00 3.24 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.27 4.27 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 10.47 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.69 4.43 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 56 I 8.12 3.92 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.05 0.91 0.00 0.00 57 A 7.85 4.17 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.43 3.97 0.00 2.17 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 59 G 8.96 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.73 4.23 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.13 4.17 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 62 I 8.45 4.79 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.01 0.80 0.00 0.00 63 E 9.18 4.62 0.00 1.95 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 64 F 8.85 5.02 0.00 2.96 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.65 4.45 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.91 0.00 0.00 66 E 8.87 4.92 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.42 0.00 67 E 8.66 4.43 0.00 2.07 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 68 E 8.62 4.46 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 69 A 8.39 4.39 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.76 4.62 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.88 0.00 0.00 71 F 9.12 4.83 0.00 1.51 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.70 4.96 0.00 1.74 1.77 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.38 7.81 73 C 10.24 4.85 0.00 3.34 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.03 5.33 0.00 1.82 1.77 0.00 3.33 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 75 N 8.08 5.09 0.00 2.70 2.83 0.00 0.00 6.98 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.37 4.53 0.00 3.08 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.06 4.31 0.00 2.74 2.99 0.00 0.00 7.02 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.11 4.58 0.00 3.10 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.40 5.93 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 80 W 8.47 4.92 0.00 3.35 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.99 4.60 0.00 1.80 1.83 0.00 1.66 0.00 0.00 0.85 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.29 7.81 82 L 7.86 3.67 0.00 1.51 1.61 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.33 4.85 0.00 1.91 1.82 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.62 1.26 7.81 84 E 8.35 4.03 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 85 V 8.59 3.77 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.93 0.00 0.00 86 K 7.37 4.38 0.00 1.71 1.60 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.24 0.98 7.81 *108 L 7.48 4.30 0.00 1.84 1.99 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.54 4.80 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.01 3.60 0.00 3.38 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.46 0.00 2.15 1.75 0.00 3.34 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.62 0.00 112 K 7.71 3.73 0.00 0.79 1.42 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.19 1.22 7.81 113 C 8.56 4.37 0.00 3.05 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 6.98 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.46 4.57 0.00 3.79 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.73 4.35 0.00 3.30 3.35 0.00 5.62 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.52 4.30 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 6.88 5.25 0.00 3.30 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.38 4.66 0.00 1.64 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 120 V 8.57 3.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.65 0.00 0.00 121 V 8.16 3.90 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.96 0.00 0.00 122 K 7.60 4.43 0.00 1.65 1.65 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.36 7.81 123 G 7.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 8.11 4.74 0.00 1.87 1.84 0.00 2.99 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 125 G 8.83 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.74 5.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.95 0.00 0.00 127 Y 8.19 4.83 0.00 3.07 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.38 4.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.90 0.00 0.00 129 A 9.01 4.38 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.80 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.13 5.16 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 1.03 0.00 0.00 132 K 9.09 4.60 0.00 1.73 1.73 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.50 7.81 133 I 8.40 4.94 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.95 0.00 0.00 134 E 9.07 4.79 0.00 1.97 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 135 K 8.44 4.86 0.00 1.59 1.62 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.37 7.81 136 E 8.40 4.05 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 137 G 9.04 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.59 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.07 4.26 0.00 3.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.